Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | F9 | P00740 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11207230 | 0.83 | ALDH1A1 (0.58) | ALDH1A1POLBKDM4ENPC1RAB9A | |
| SCHEMBL9704939 | 0.81 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2PTPN1 | |
| SCHEMBL11207032 | 0.81 | ALDH1A1 (0.50) | ALDH1A1POLBKDM4ENPC1RAB9A | |
| SCHEMBL28441954 | 0.77 | NPC1 (0.69) | ALDH1A1KMT2APOLBTSHRNPC1 | |
| SCHEMBL2010417 | 0.75 | USP2 (0.67) | ALDH1A1USP2KDM4EABCB1NPC1 | |
| SCHEMBL14252838 | 0.74 | USP2 (0.57) | ALDH1A1USP2F9KDM4EABCB1 | |
| SCHEMBL11825493 | 0.72 | GLA (0.68) | ALDH1A1USP2POLBKDM4ETSHR | |
| SCHEMBL12610489 | 0.72 | F2RL3 (0.41) | ALDH1A1PTPN1 | |
| SCHEMBL6500874 | 0.71 | NLRP3 (0.56) | ALDH1A1USP2POLBABCB1NPC1 | |
| SCHEMBL14252837 | 0.71 | USP2 (0.55) | ALDH1A1USP2F9KDM4EABCB1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0095454-A2 | Nuclens-substituted pyrogallol derivatives | Gerot-Pharmazeutika Gesellschaft m.b.H. (AT) | 1983-11-30 | — | — | EP | disclosed |